DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:23:15 UTC
Update Date	2025-03-25 01:02:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02254461
Frequency	0.5
Structure
Chemical Formula	C₁₆H₃₀N₂O₇
Molecular Mass	362.2053
SMILES	CC(C)CC(N=C(O)C(CC(C)C)NC(O)C(O)CC(=O)O)C(=O)O
InChI Key	WYPCISUWFQLKSC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	leucine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amino acids beta hydroxy acids and derivatives carbonyl compounds carboximidic acids carboxylic acids dialkylamines dicarboxylic acids and derivatives gamma amino acids and derivatives hemiaminals hydrocarbon derivatives hydroxy fatty acids methyl-branched fatty acids organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary alcohols short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carboximidic acid carbonyl group carboxylic acid short-chain hydroxy acid amino acid gamma amino acid or derivatives fatty acid hemiaminal propargyl-type 1,3-dipolar organic compound beta-hydroxy acid organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid alkanolamine alcohol secondary aliphatic amine methyl-branched fatty acid organic 1,3-dipolar compound hydroxy acid secondary amine branched fatty acid organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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